UCSF

ZINC36882144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 5.57 -9.67 1 3 0 46 251.083 1
Hi High (pH 8-9.5) 2.79 4.08 -48.12 0 3 -1 49 250.075 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )